Zinc(II) Dibenzyldithiocarbamate - ≥97%(T) , CAS No.14726-36-4

CAS: 14726-36-4 Cat. No.: Z162996 Molecular Weight: 610.19 EC Number: 238-778-0 PubChem CID: 84610

GRADE & PURITY ≥97%(T)

Synonyms

(N,N-Dibenzyldithiocarbamato)zinc | A854240 | Zinc, bis(bis(phenylmethyl)carbamodithioato-kappaS,kappaS')-, (T-4)- | UNII-33RO266515 | Q27256296 | Zinc, bis(bis(phenylmethyl)carbamodithioato-S,S')-, (beta-4)- | starbld0016580 | EINECS 238-778-0 | Zinc bis

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(N, N-Dibenzyldithiocarbamato)zinc | A854240 | Zinc, bis(bis(phenylmethyl)carbamodithioato-kappaS, kappaS')-, (T-4)- | UNII-33RO266515 | Q27256296 | Zinc, bis(bis(phenylmethyl)carbamodithioato-S, S')-, (beta-4)- | starbld0016580 | EINECS 238-778-0 | Zinc bis

Specifications & Purity

≥97%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Pubchem Sid: 488186263
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186263
• Canonical Smiles: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Zn+2]
• IUPAC Name: zinc;N,N-dibenzylcarbamodithioate
• InChIKey: AUMBZPPBWALQRO-UHFFFAOYSA-L
• INCHI: 1S/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2
• Isomeric SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Zn+2]
• PubChem CID: 84610
• Molecular Weight: 610.19
• Reaxy-Rn: 13277843

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic transition metal salts Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Monocyclic benzene moiety - Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 182 °C
• Molecular Weight: 610.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 608.043 Da
• Monoisotopic Mass: 608.043 Da
• Topological Polar Surface Area: 72.700 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 230.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Xin Jiang, Yihu Song, Wanjie Wang, Qiang Zheng.  (2021)  Influence of silica on electrical conduction and mechanical behaviors of stretchable nanocomposite conductor based on poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) filled natural rubber.  COMPOSITES COMMUNICATIONS,      [PMID:] [10.1016/j.coco.2021.101030]

2. Yuan Zhang, Dong Wang, Gaili Liu, Kun Wang, Shaomin Shuang, Chuan Dong.  (2025)  A novel CuO nanoparticle loaded DMSN@MnO2 nanozyme as an optical platform for 2-mercaptobenzothiazole assays and biotoxicity mitigation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.159363]